N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(3-oxobutyl)-1,3-thiazol-4-yl]acetamide

C13H15N3O2S2 — CID 166887692

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-[2-(3-oxobutyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)CCc1nc(CC(=O)Nc2ncc(C)s2)cs1
InChIInChI=1S/C13H15N3O2S2/c1-8(17)3-4-12-15-10(7-19-12)5-11(18)16-13-14-6-9(2)20-13/h6-7H,3-5H2,1-2H3,(H,14,16,18)
InChIKeyNBHOKDFLIRSLLZ-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.61
Rot. Bonds6

About N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(3-oxobutyl)-1,3-thiazol-4-yl]acetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(3-oxobutyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 166887692) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(3-oxobutyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-[2-(3-oxobutyl)-1,3-thiazol-4-yl]acetamide
PubChem CID166887692
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-[2-(3-oxobutyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)CCc1nc(CC(=O)Nc2ncc(C)s2)cs1
InChIInChI=1S/C13H15N3O2S2/c1-8(17)3-4-12-15-10(7-19-12)5-11(18)16-13-14-6-9(2)20-13/h6-7H,3-5H2,1-2H3,(H,14,16,18)
InChIKeyNBHOKDFLIRSLLZ-UHFFFAOYSA-N
XLogP2.61
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 17455112
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547668
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 82547684
2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
CID 120998421
2-(2-hydroxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 78990794
2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 22678801
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547498
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 82547737
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 110450848
2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 110451038

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(3-oxobutyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(3-oxobutyl)-1,3-thiazol-4-yl]acetamide (CID 166887692) is N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(3-oxobutyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(3-oxobutyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(3-oxobutyl)-1,3-thiazol-4-yl]acetamide is CC(=O)CCc1nc(CC(=O)Nc2ncc(C)s2)cs1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(3-oxobutyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is NBHOKDFLIRSLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-8(17)3-4-12-15-10(7-19-12)5-11(18)16-13-14-6-9(2)20-13/h6-7H,3-5H2,1-2H3,(H,14,16,18).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(3-oxobutyl)-1,3-thiazol-4-yl]acetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(3-oxobutyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 309.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(3-oxobutyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 166887692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).